[4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid

C11H17O3PS — CID 138723062

IUPAC[4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid
SMILESCc1ccc(C2CCC(P(=O)(O)O)CC2)s1
InChIInChI=1S/C11H17O3PS/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)15(12,13)14/h2,7,9-10H,3-6H2,1H3,(H2,12,13,14)
InChIKeyOGSCJDRTRJICOP-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.26
Rot. Bonds2

About [4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid

[4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid (PubChem CID 138723062) has the molecular formula C11H17O3PS and a molecular weight of 260.29 g/mol. Its IUPAC name is [4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid.

Molecular Properties

Compound Name[4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid
PubChem CID138723062
Molecular FormulaC11H17O3PS
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name[4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid
SMILESCc1ccc(C2CCC(P(=O)(O)O)CC2)s1
InChIInChI=1S/C11H17O3PS/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)15(12,13)14/h2,7,9-10H,3-6H2,1H3,(H2,12,13,14)
InChIKeyOGSCJDRTRJICOP-UHFFFAOYSA-N
XLogP3.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid?
The IUPAC name of [4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid (CID 138723062) is [4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid.
What is the SMILES notation for [4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid?
The canonical SMILES for [4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid is Cc1ccc(C2CCC(P(=O)(O)O)CC2)s1.
What is the InChIKey of [4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid?
The InChIKey is OGSCJDRTRJICOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3PS/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)15(12,13)14/h2,7,9-10H,3-6H2,1H3,(H2,12,13,14).
What are the key properties of [4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid?
[4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid has a molecular weight of 260.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid is sourced from PubChem (CID 138723062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).